2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid

C12H19N3O4 — CID 55007447

IUPAC2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid
SMILESCc1cc(NC(=O)CCN(C)CC(C)C(=O)O)no1
InChIInChI=1S/C12H19N3O4/c1-8(12(17)18)7-15(3)5-4-11(16)13-10-6-9(2)19-14-10/h6,8H,4-5,7H2,1-3H3,(H,17,18)(H,13,14,16)
InChIKeyIADUGDRJTYLQQF-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.96
Rot. Bonds7

About 2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid

2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid (PubChem CID 55007447) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid
PubChem CID55007447
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid
SMILESCc1cc(NC(=O)CCN(C)CC(C)C(=O)O)no1
InChIInChI=1S/C12H19N3O4/c1-8(12(17)18)7-15(3)5-4-11(16)13-10-6-9(2)19-14-10/h6,8H,4-5,7H2,1-3H3,(H,17,18)(H,13,14,16)
InChIKeyIADUGDRJTYLQQF-UHFFFAOYSA-N
XLogP0.96
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid with MolForge

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Related Compounds

2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 63645461
3-[acetyl(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
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2-methyl-3-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]sulfanylpropanoic acid
CID 64914900
2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 54900050
N-(5-methyl-1,2-oxazol-3-yl)-3-[methyl(3-phenoxypropyl)amino]propanamide
CID 37119026
3-[3-(4-fluorophenoxy)propyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 37454270
3-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 35799341
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
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3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 62015887
3-(dimethylsulfamoyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110343455
3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 39973520
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid (CID 55007447) is 2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid is Cc1cc(NC(=O)CCN(C)CC(C)C(=O)O)no1.
What is the InChIKey of 2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid?
The InChIKey is IADUGDRJTYLQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8(12(17)18)7-15(3)5-4-11(16)13-10-6-9(2)19-14-10/h6,8H,4-5,7H2,1-3H3,(H,17,18)(H,13,14,16).
What are the key properties of 2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid?
2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid has a molecular weight of 269.30 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid is sourced from PubChem (CID 55007447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).